Structures and reactions of radical cations of some prototype alkanes in low temperature solids as studied by ESR spectroscopy J. Chem. Phys. 77, 5891 (1982); 10.1063/1.443863 ESR studies on cationradicals of simple olefins and dienes produced in γirradiated frozen solutions of trichlorofluoromethane Exposure of dilute solutions of dimethylsulfide, methanethiol, tetrahydrothiophene, terbutyl and diterbutyl-sulfides, dimethyl-disulfide, and diterbutyldisulfide, in freon at 77 K to bOCo r rays gave the corresponding cations. From the reported ESR spectra, g tensors were obtained. It was found that both sulfide and disulfide cations exhibit the same g tensor: (gmax = 2.034 ± 0.002, gint = 2.017 ± O.OOI,gmin = 2.001 ± 0.(05). From this result it has been shown that the disulfide cation is planar. This finding was supported by funy optimized geometry ab initio calculations.
(CH:J3CSH and (CH:J3CSC (CH 3 )3The spectrum for the (CH 3 bCSH cation resembles that of the diterbutyl derivative (CH 3 bCSQCH 3 h no proton hy-J.
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